5-[(2-tert-butyl-4-chloro-5-methylphenoxy)methyl]-1H-pyrazole

C15H19ClN2O — CID 126650770

IUPAC5-[(2-tert-butyl-4-chloro-5-methylphenoxy)methyl]-1H-pyrazole
SMILESCc1cc(OCc2ccn[nH]2)c(C(C)(C)C)cc1Cl
InChIInChI=1S/C15H19ClN2O/c1-10-7-14(19-9-11-5-6-17-18-11)12(8-13(10)16)15(2,3)4/h5-8H,9H2,1-4H3,(H,17,18)
InChIKeyFAVDADVSTHHSOU-UHFFFAOYSA-N
MW278.78 g/mol
LogP4.25
Rot. Bonds3

About 5-[(2-tert-butyl-4-chloro-5-methylphenoxy)methyl]-1H-pyrazole

5-[(2-tert-butyl-4-chloro-5-methylphenoxy)methyl]-1H-pyrazole (PubChem CID 126650770) has the molecular formula C15H19ClN2O and a molecular weight of 278.78 g/mol. Its IUPAC name is 5-[(2-tert-butyl-4-chloro-5-methylphenoxy)methyl]-1H-pyrazole.

Molecular Properties

Compound Name5-[(2-tert-butyl-4-chloro-5-methylphenoxy)methyl]-1H-pyrazole
PubChem CID126650770
Molecular FormulaC15H19ClN2O
Molecular Weight278.78 g/mol
Exact Mass278.12
IUPAC Name5-[(2-tert-butyl-4-chloro-5-methylphenoxy)methyl]-1H-pyrazole
SMILESCc1cc(OCc2ccn[nH]2)c(C(C)(C)C)cc1Cl
InChIInChI=1S/C15H19ClN2O/c1-10-7-14(19-9-11-5-6-17-18-11)12(8-13(10)16)15(2,3)4/h5-8H,9H2,1-4H3,(H,17,18)
InChIKeyFAVDADVSTHHSOU-UHFFFAOYSA-N
XLogP4.25
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.78
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-[(2-tert-butyl-4-chloro-5-methylphenoxy)methyl]-1H-pyrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[(2-tert-butyl-4-chloro-5-methylphenoxy)methyl]-1H-pyrazole?
The IUPAC name of 5-[(2-tert-butyl-4-chloro-5-methylphenoxy)methyl]-1H-pyrazole (CID 126650770) is 5-[(2-tert-butyl-4-chloro-5-methylphenoxy)methyl]-1H-pyrazole.
What is the SMILES notation for 5-[(2-tert-butyl-4-chloro-5-methylphenoxy)methyl]-1H-pyrazole?
The canonical SMILES for 5-[(2-tert-butyl-4-chloro-5-methylphenoxy)methyl]-1H-pyrazole is Cc1cc(OCc2ccn[nH]2)c(C(C)(C)C)cc1Cl.
What is the InChIKey of 5-[(2-tert-butyl-4-chloro-5-methylphenoxy)methyl]-1H-pyrazole?
The InChIKey is FAVDADVSTHHSOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O/c1-10-7-14(19-9-11-5-6-17-18-11)12(8-13(10)16)15(2,3)4/h5-8H,9H2,1-4H3,(H,17,18).
What are the key properties of 5-[(2-tert-butyl-4-chloro-5-methylphenoxy)methyl]-1H-pyrazole?
5-[(2-tert-butyl-4-chloro-5-methylphenoxy)methyl]-1H-pyrazole has a molecular weight of 278.78 g/mol, XLogP of 4.25, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-tert-butyl-4-chloro-5-methylphenoxy)methyl]-1H-pyrazole is sourced from PubChem (CID 126650770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).